化工社化工社 化学情報印刷レポート · 研究参考用
2-メチルベンゾチアゾール
2-メチルベンゾチアゾール · 2‐メチルベンゾチアゾール · 2-メチル-1,3-ベンゾチアゾール · 2-methylbenzo[d]thiazole · METHYLBENZOTHIAZOLE · 2-Methyl-1,3-benzothiazole · usafek-1853 · USAF ek-1853
識別子と物理属性
| CAS No. | 120-75-2 |
|---|---|
| 分子式 | C8H7NS |
| 平均分子量 | 149.21 g/mol |
| 単同位体質量 | 149.0299204 g/mol |
| SMILES | Cc1nc2ccccc2s1 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| PubChem CID | 8446 |
| ChEMBL | CHEMBL2393325 |
| EC No. | 204-423-3 |
| DTXSID | DTXSID8049208 |
| 現地名 | 2-メチルベンゾチアゾール |
化学・物理的性質
| XLogP | 3 |
|---|---|
| 極性表面積 | 41.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 126 |
| 沸点 | 238.00 °C. @ 760.00 mm Hg238 °C (lit.) |
| 融点 | 14 °C11-14 °C (lit.) |
| Physical Description | Liquid |
| Kovats Retention Index | 12881273 |
| 密度 | 1.173 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.617(lit.) |
| 引火点 | 216 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | DMSO（少量）、メタノール（少量）水と混和しないか、または混合しにくい。 |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 1.65±0.10(Predicted) |
| 色 | わずかに黄色 |
| BRN | 112427 |
| 化粧品成分の機能 | 溶媒ネイルスカルプティング |
| InChI | 1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3 |
| InChIKey | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| SMILES | Cc1nc2ccccc2s1 |
| LogP（分配係数） | 2.224 (est) |
| CAS データベース | 120-75-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzothiazole, 2-methyl-(120-75-2) |
| EPAの化学物質情報 | 2-Methybenzothiazole (120-75-2) |
化学的特性
clear colorless to light amber liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 38 of 40 companies (only 5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 38 of 40 reports by companies.There are 2 notifications provided by 2 of 40 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Benzothiazole, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzothiazole, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DL5600000 |
| 税関コード | 29342080 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 化審法 | (5)-228 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xn |
| 安全措置（S） | 23-24/25 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2-Methylbenzothiazole is a useful reagent for efficient development of new fluorescent probes for RNA G quadruplex imaging.
一般的な説明
2-Methylbenzothiazole can be synthesized by the Cu-catalyzed, base-free C-S coupling using conventional and microwave heating methods.